Basic information
- CAS
923602-41-9- Standard SMILES
C=CCc1c(S(=O)(=O)CC=C)cc(C)oc1=O- InChIKey
RRHWAWMKSZAIFO-UHFFFAOYSA-N- Molecular formula
- C12H14O4S
- Average molar mass
- 254.3 g/mol
- Monoisotopic mass
- 254.0612801
Names & identifiers
- Preferred name
- 6-Methyl-4-(prop-2-ene-1-sulfonyl)-3-(prop-2-en-1-yl)-2H-pyran-2-one
- IUPAC
- 6-methyl-3-prop-2-enyl-4-prop-2-enylsulfonylpyran-2-one
Names & synonyms
923602-41-9DTXSID108541126-Methyl-4-(prop-2-ene-1-sulfonyl)-3-(prop-2-en-1-yl)-2H-pyran-2-one
Database identifiers
- CAS
923602-41-9- PubChem CID
- 71445596
- DTXSID
DTXSID10854112
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 68.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 515
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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